Geometry & MOs

Info

ID:	229889
PubChem CID:	87569446
Reduced:	O2C8H15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	248.06532
ΔH_f, kcal/mol:	-238.02
Dipole, Da:	6.21
IP(EA), eV:	-10.7(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropylsulfanylcarbothioyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)CC(C)(CCCCCCC(=O)O)C(=O)O

DOS

IR

Vibrations